10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine

C198H120N14S5 — CID 161090107

IUPAC10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(N4c5ccccc5Sc5ccccc54)n3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(N4c5ccccc5Sc5ccccc54)n3)s2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc2c(c1)Sc1ccccc1N2c1nc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc(-c2ccc3c4ccccc4c4ccccc4c3c2)n1
InChIInChI=1S/C54H33NS.C51H30N4S.C50H31N5S.C43H26N4S2/c1-3-17-43-39(13-1)41-15-5-7-19-45(41)49-32-34(25-27-47(43)49)36-29-37(31-38(30-36)55-51-21-9-11-23-53(51)56-54-24-12-10-22-52(54)55)35-26-28-48-44-18-4-2-14-40(44)42-16-6-8-20-46(42)50(48)33-35;1-3-17-37-33(13-1)35-15-5-7-19-39(35)43-29-31(25-27-41(37)43)49-52-50(54-51(53-49)55-45-21-9-11-23-47(45)56-48-24-12-10-22-46(48)55)32-26-28-42-38-18-4-2-14-34(38)36-16-6-8-20-40(36)44(42)30-32;1-3-15-32(16-4-1)42-30-35(31-43(51-42)33-17-5-2-6-18-33)49-52-48(53-50(54-49)55-44-23-11-13-25-46(44)56-47-26-14-12-24-45(47)55)34-27-28-40-38-21-8-7-19-36(38)37-20-9-10-22-39(37)41(40)29-34;1-2-12-27(13-3-1)37-24-25-40(48-37)42-44-41(45-43(46-42)47-35-18-8-10-20-38(35)49-39-21-11-9-19-36(39)47)28-22-23-33-31-16-5-4-14-29(31)30-15-6-7-17-32(30)34(33)26-28/h1-33H;1-30H;1-31H;1-26H
InChIKeyUHBCWOUQPARBIL-UHFFFAOYSA-N
MW2855.57 g/mol
LogP55.59
Rot. Bonds15

About 10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine

10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine (PubChem CID 161090107) has the molecular formula C198H120N14S5 and a molecular weight of 2855.57 g/mol. Its IUPAC name is 10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine.

Molecular Properties

Compound Name10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine
PubChem CID161090107
Molecular FormulaC198H120N14S5
Molecular Weight2855.57 g/mol
Exact Mass2852.84
IUPAC Name10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(N4c5ccccc5Sc5ccccc54)n3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(N4c5ccccc5Sc5ccccc54)n3)s2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc2c(c1)Sc1ccccc1N2c1nc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc(-c2ccc3c4ccccc4c4ccccc4c3c2)n1
InChIInChI=1S/C54H33NS.C51H30N4S.C50H31N5S.C43H26N4S2/c1-3-17-43-39(13-1)41-15-5-7-19-45(41)49-32-34(25-27-47(43)49)36-29-37(31-38(30-36)55-51-21-9-11-23-53(51)56-54-24-12-10-22-52(54)55)35-26-28-48-44-18-4-2-14-40(44)42-16-6-8-20-46(42)50(48)33-35;1-3-17-37-33(13-1)35-15-5-7-19-39(35)43-29-31(25-27-41(37)43)49-52-50(54-51(53-49)55-45-21-9-11-23-47(45)56-48-24-12-10-22-46(48)55)32-26-28-42-38-18-4-2-14-34(38)36-16-6-8-20-40(36)44(42)30-32;1-3-15-32(16-4-1)42-30-35(31-43(51-42)33-17-5-2-6-18-33)49-52-48(53-50(54-49)55-44-23-11-13-25-46(44)56-47-26-14-12-24-45(47)55)34-27-28-40-38-21-8-7-19-36(38)37-20-9-10-22-39(37)41(40)29-34;1-2-12-27(13-3-1)37-24-25-40(48-37)42-44-41(45-43(46-42)47-35-18-8-10-20-38(35)49-39-21-11-9-19-36(39)47)28-22-23-33-31-16-5-4-14-29(31)30-15-6-7-17-32(30)34(33)26-28/h1-33H;1-30H;1-31H;1-26H
InChIKeyUHBCWOUQPARBIL-UHFFFAOYSA-N
XLogP55.59
TPSA141.86 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002855.57
LogP ≤ 555.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine with MolForge

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Related Compounds

10-[3-[3-[6-[4-[3-[2-[3-[3,5-di(phenothiazin-10-yl)phenyl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
CID 129302267
10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 158949538
10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 159949835
10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine
CID 89368097
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 129291663
10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine
CID 156551092
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 159416067
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129291660
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 139518099
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2,4-bis(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;4,6-bis(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;2,4-bis(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 158543149
4,6-diphenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,6-dipyridin-3-yl-4-[3-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 157417674

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine?
The IUPAC name of 10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine (CID 161090107) is 10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine.
What is the SMILES notation for 10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine?
The canonical SMILES for 10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine is c1ccc(-c2cc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(N4c5ccccc5Sc5ccccc54)n3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(N4c5ccccc5Sc5ccccc54)n3)s2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc2c(c1)Sc1ccccc1N2c1nc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc(-c2ccc3c4ccccc4c4ccccc4c3c2)n1.
What is the InChIKey of 10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine?
The InChIKey is UHBCWOUQPARBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NS.C51H30N4S.C50H31N5S.C43H26N4S2/c1-3-17-43-39(13-1)41-15-5-7-19-45(41)49-32-34(25-27-47(43)49)36-29-37(31-38(30-36)55-51-21-9-11-23-53(51)56-54-24-12-10-22-52(54)55)35-26-28-48-44-18-4-2-14-40(44)42-16-6-8-20-46(42)50(48)33-35;1-3-17-37-33(13-1)35-15-5-7-19-39(35)43-29-31(25-27-41(37)43)49-52-50(54-51(53-49)55-45-21-9-11-23-47(45)56-48-24-12-10-22-46(48)55)32-26-28-42-38-18-4-2-14-34(38)36-16-6-8-20-40(36)44(42)30-32;1-3-15-32(16-4-1)42-30-35(31-43(51-42)33-17-5-2-6-18-33)49-52-48(53-50(54-49)55-44-23-11-13-25-46(44)56-47-26-14-12-24-45(47)55)34-27-28-40-38-21-8-7-19-36(38)37-20-9-10-22-39(37)41(40)29-34;1-2-12-27(13-3-1)37-24-25-40(48-37)42-44-41(45-43(46-42)47-35-18-8-10-20-38(35)49-39-21-11-9-19-36(39)47)28-22-23-33-31-16-5-4-14-29(31)30-15-6-7-17-32(30)34(33)26-28/h1-33H;1-30H;1-31H;1-26H.
What are the key properties of 10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine?
10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine has a molecular weight of 2855.57 g/mol, XLogP of 55.59, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine is sourced from PubChem (CID 161090107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).